SCHEMBL10693917

SCHEMBL10693917

CCCCN(CCCC)c1ccc(C(c2ccccc2OC)c2ccc(N(C)C)cc2C(=O)O)c(N(CCCC)CCCC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
SLC16A3 O15427 2/20 0.40
SLC16A1 P53985 2/20 0.40
MAPT P10636 3/20 0.37
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RECQL P46063 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
MTTP P55157 1/20 0.35
CNR2 P34972 1/20 0.35
IDO1 P14902 1/20 0.35
F7 P08709 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7780452 0.77 GAA (0.46) KDM4EALDH1A1POLBGAASLC16A3
SCHEMBL10689340 0.77 TP53 (0.42) KDM4EALDH1A1GAAMAPTCYP3A4
SCHEMBL10692867 0.76 ALDH1A1 (0.41) KDM4EALDH1A1POLBGAASLC16A3
SCHEMBL10691903 0.74 MEN1 (0.47) KDM4EALDH1A1POLBGAAMAPT
SCHEMBL7780465 0.73 ALDH1A1 (0.51) KDM4EALDH1A1POLBGAASLC16A3
SCHEMBL10693923 0.72 KDM4E (0.44) KDM4EALDH1A1POLBGAASLC16A3
SCHEMBL7781204 0.71 ALDH1A1 (0.48) KDM4EALDH1A1POLBGAASLC16A3
SCHEMBL7773670 0.71 ALDH1A1 (0.48) KDM4EALDH1A1POLBGAASLC16A3
SCHEMBL7778519 0.70 CNR2 (0.43) KDM4EALDH1A1POLBGAASLC16A3
SCHEMBL265593 0.70 KDM4E (0.72) KDM4EALDH1A1POLBGAASLC16A3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4732991-A Substituted phthalides HILTON DAVIS CHEMICAL CO. (US) 1988-03-22 US disclosed
US-4595768-A 3-(substituted phenyl)phthalides THE HILTON-DAVIS CHEMICAL CO. (US) 1986-06-17 US disclosed